N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine

C14H13F2N5O — CID 165433989

IUPACN-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine
SMILESCCn1cnc2c(Nc3cccc(OC(F)F)c3)ncnc21
InChIInChI=1S/C14H13F2N5O/c1-2-21-8-19-11-12(17-7-18-13(11)21)20-9-4-3-5-10(6-9)22-14(15)16/h3-8,14H,2H2,1H3,(H,17,18,20)
InChIKeyFUWHCFYDXKAXBW-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.19
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine

N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine (PubChem CID 165433989) has the molecular formula C14H13F2N5O and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine
PubChem CID165433989
Molecular FormulaC14H13F2N5O
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC NameN-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine
SMILESCCn1cnc2c(Nc3cccc(OC(F)F)c3)ncnc21
InChIInChI=1S/C14H13F2N5O/c1-2-21-8-19-11-12(17-7-18-13(11)21)20-9-4-3-5-10(6-9)22-14(15)16/h3-8,14H,2H2,1H3,(H,17,18,20)
InChIKeyFUWHCFYDXKAXBW-UHFFFAOYSA-N
XLogP3.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375
9-ethyl-N-methylpurin-6-amine
CID 23389288
4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 122281805
(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol
CID 21039974
3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584473
9-ethyl-N-(3-ethylphenyl)purin-6-amine;2-propyloxolane
CID 165126933
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
CID 155980707
2-chloro-N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 11001320
N-[2-(3,5-dimethylphenoxy)ethyl]-9-ethylpurin-6-amine
CID 165433963
9-benzyl-2-chloro-N-(3-propan-2-yloxyphenyl)purin-6-amine
CID 5271944
9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816
3-N-chloro-1-N-[9-[2-[4-(chloroamino)phenyl]ethyl]purin-6-yl]benzene-1,3-diamine
CID 143372747

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine (CID 165433989) is N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine is CCn1cnc2c(Nc3cccc(OC(F)F)c3)ncnc21.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine?
The InChIKey is FUWHCFYDXKAXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O/c1-2-21-8-19-11-12(17-7-18-13(11)21)20-9-4-3-5-10(6-9)22-14(15)16/h3-8,14H,2H2,1H3,(H,17,18,20).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine?
N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine has a molecular weight of 305.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine is sourced from PubChem (CID 165433989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).